P7I

(2-aminoethyl)phosphonic acid

Created:	2010-10-20
Last modified:	2024-11-26

Find Related PDB Entry
2 entries where P7I is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

2D diagram of P7I

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(2-aminoethyl)phosphonic acid
Systematic Name (OpenEye OEToolkits)	2-azanylethylphosphonic acid
Formula	C₂ H₈ N O₃ P
Molecular Weight	125.064
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)CCN
SMILES	CACTVS	3.370	NCC[P](O)(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C(CP(=O)(O)O)N
Canonical SMILES	CACTVS	3.370	NCC[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C(CP(=O)(O)O)N
InChI	InChI	1.03	InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey	InChI	1.03	QQVDJLLNRSOCEL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5245507, 339
ChEMBL	CHEMBL1321977
ChEBI	CHEBI:15573, CHEBI:57418

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.